(2R)-N-(1-cyanocyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H28N4O2S/c1-15(2)13-26-20(28)17-9-5-6-10-18(17)24-21(26)29-16(3)19(27)25-22(14-23)11-7-4-8-12-22/h5-6,9-10,15-16H,4,7-8,11-13H2,1-3H3,(H,25,27)/t16-/m1/s1